1-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

C26H24F3N3O3S — CID 57448315

IUPAC1-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESOC1(c2cccc(C(F)(F)F)c2)CCN(CCOc2ccc(Oc3nc4cccnc4s3)cc2)CC1
InChIInChI=1S/C26H24F3N3O3S/c27-26(28,29)19-4-1-3-18(17-19)25(33)10-13-32(14-11-25)15-16-34-20-6-8-21(9-7-20)35-24-31-22-5-2-12-30-23(22)36-24/h1-9,12,17,33H,10-11,13-16H2
InChIKeyTZXYZWZIRHGNCX-UHFFFAOYSA-N
MW515.56 g/mol
LogP5.86
Rot. Bonds7

About 1-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

1-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 57448315) has the molecular formula C26H24F3N3O3S and a molecular weight of 515.56 g/mol. Its IUPAC name is 1-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID57448315
Molecular FormulaC26H24F3N3O3S
Molecular Weight515.56 g/mol
Exact Mass515.15
IUPAC Name1-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESOC1(c2cccc(C(F)(F)F)c2)CCN(CCOc2ccc(Oc3nc4cccnc4s3)cc2)CC1
InChIInChI=1S/C26H24F3N3O3S/c27-26(28,29)19-4-1-3-18(17-19)25(33)10-13-32(14-11-25)15-16-34-20-6-8-21(9-7-20)35-24-31-22-5-2-12-30-23(22)36-24/h1-9,12,17,33H,10-11,13-16H2
InChIKeyTZXYZWZIRHGNCX-UHFFFAOYSA-N
XLogP5.86
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.56
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (CID 57448315) is 1-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is OC1(c2cccc(C(F)(F)F)c2)CCN(CCOc2ccc(Oc3nc4cccnc4s3)cc2)CC1.
What is the InChIKey of 1-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is TZXYZWZIRHGNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O3S/c27-26(28,29)19-4-1-3-18(17-19)25(33)10-13-32(14-11-25)15-16-34-20-6-8-21(9-7-20)35-24-31-22-5-2-12-30-23(22)36-24/h1-9,12,17,33H,10-11,13-16H2.
What are the key properties of 1-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
1-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 515.56 g/mol, XLogP of 5.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 57448315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).